5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid

C8H8F3N3O2 — CID 174968057

IUPAC5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid
SMILESNc1c(C(=O)O)ncn1C1CC1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)3-1-4(3)14-2-13-5(6(14)12)7(15)16/h2-4H,1,12H2,(H,15,16)
InChIKeyRFTYPJKTCOWGNM-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.29
Rot. Bonds2

About 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid

5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid (PubChem CID 174968057) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid
PubChem CID174968057
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid
SMILESNc1c(C(=O)O)ncn1C1CC1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)3-1-4(3)14-2-13-5(6(14)12)7(15)16/h2-4H,1,12H2,(H,15,16)
InChIKeyRFTYPJKTCOWGNM-UHFFFAOYSA-N
XLogP1.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid (CID 174968057) is 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid is Nc1c(C(=O)O)ncn1C1CC1C(F)(F)F.
What is the InChIKey of 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid?
The InChIKey is RFTYPJKTCOWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)3-1-4(3)14-2-13-5(6(14)12)7(15)16/h2-4H,1,12H2,(H,15,16).
What are the key properties of 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid?
5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 174968057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).